../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca
A14B13_mC54_12_gh3ij_a2i2j
a b/a c/a beta y2 y3 x4 z4 x5 z5 x6 z6 x7 z7 x8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11
standard
1
15.4691 0.63570602 1.0006917 143.4808 0.64585556 0.27483259 0.65644064 0.65782243 0.89632786 0.15523759 0.59127705 0.93123763 0.38809783 0.58481476 0.19886644 0.70235946 0.42446186 0.63504733 0.58274378 0.71969145 0.79721311 0.86602651 0.86562754 0.21820526 0.72726736
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000